2-[5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C19H18N4S MolecularWeight: 334.43802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC=NN2C3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC=NN2C3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C19H18N4S/c1-2-13-7-9-14(10-8-13)18-21-12-22-23(18)19-16(11-20)15-5-3-4-6-17(15)24-19/h7-10,12H,2-6H2,1H3